5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C21H19ClFN3O2 — CID 109236460

IUPAC5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NCCc3ccc(F)cc3)c2)cc1Cl
InChIInChI=1S/C21H19ClFN3O2/c1-28-20-7-6-17(11-19(20)22)26-18-10-15(12-24-13-18)21(27)25-9-8-14-2-4-16(23)5-3-14/h2-7,10-13,26H,8-9H2,1H3,(H,25,27)
InChIKeyABFZADXKMXOJIY-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.60
Rot. Bonds7

About 5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109236460) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109236460
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NCCc3ccc(F)cc3)c2)cc1Cl
InChIInChI=1S/C21H19ClFN3O2/c1-28-20-7-6-17(11-19(20)22)26-18-10-15(12-24-13-18)21(27)25-9-8-14-2-4-16(23)5-3-14/h2-7,10-13,26H,8-9H2,1H3,(H,25,27)
InChIKeyABFZADXKMXOJIY-UHFFFAOYSA-N
XLogP4.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214143
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236471
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236480
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235843
N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109245028
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236485

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109236460) is 5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)NCCc3ccc(F)cc3)c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is ABFZADXKMXOJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-28-20-7-6-17(11-19(20)22)26-18-10-15(12-24-13-18)21(27)25-9-8-14-2-4-16(23)5-3-14/h2-7,10-13,26H,8-9H2,1H3,(H,25,27).
What are the key properties of 5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 399.85 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109236460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).